%chk=000028531.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028531

0 1
 O    2.843600     -0.7150000       1.135900    
 O   0.1177000       3.088100      0.4665000    
 O   -1.804700      -2.610000      0.2084000    
 O   -2.383500       2.695300     -5.2400000E-02
 N   0.7332000      -2.440200      0.7344000    
 C  -0.7452000     -0.4951000      0.3762000    
 C  -0.9006000      0.8910000      0.3083000    
 C   -3.220500     -0.7978000     -0.1372000    
 C   -3.375900      0.5882000     -0.2054000    
 C   -1.899500      -1.390200      0.1562000    
 C   0.5124000      -1.044100      0.6543000    
 C   -2.221500       1.483300      1.4500000E-02
 C   0.2016000       1.728300      0.5191000    
 C    1.608100     -0.2059000      0.8633000    
 C    1.453100       1.177200      0.7958000    
 C   -4.322600      -1.635200     -0.3482000    
 C   -4.633400       1.137000     -0.4841000    
 C   -5.573800      -1.084100     -0.6262000    
 C   -5.728900      0.2990000     -0.6938000    
 C    3.869500     -0.4122000      0.2584000    
 C    3.641900     -0.5036000      -1.103500    
 C    5.098100     -2.5900001E-02  0.7644000    
 C    4.676500     -0.1991000      -1.988000    
 C    6.132600      0.2788000     -0.1203000    
 C    5.921800      0.1922000      -1.496500    
 H    2.306000       1.829100      0.9710000    
 H   -4.230700      -2.717000     -0.3013000    
 H   -4.782200       2.211900     -0.5428000    
 H   -6.428400      -1.734300     -0.7900000    
 H   -6.704100      0.7255000     -0.9102000    
 H    1.662000      -2.786700      0.9372000    
 H  -2.1299999E-02  -3.096100      0.5938000    
 H   0.9922000       3.476700      0.6385000    
 H    2.688200     -0.8239000      -1.511800    
 H    5.263600      4.2199999E-02   1.835300    
 H    4.514000     -0.2706000      -3.059500    
 H    7.102400      0.5834000      0.2624000    
 H    6.727700      0.4283000      -2.185200    


%chk=000028531-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028531

0 1
O 2.766595 -1.041653 0.339898
O 0.069375 3.014456 -0.259110
O -2.003924 -2.736689 0.366585
O -2.556064 2.723939 -0.345958
N 0.575578 -2.550102 0.419845
C -0.906120 -0.589198 0.133673
C -1.036222 0.845013 -0.048062
C -3.438437 -0.834153 0.086057
C -3.575192 0.568503 -0.095735
C -2.095503 -1.455350 0.204258
C 0.389113 -1.202936 0.246883
C -2.380832 1.473122 -0.174698
C 0.148217 1.629257 -0.099100
C 1.548239 -0.353381 0.173634
C 1.433469 1.022951 0.011932
C -4.593973 -1.655196 0.154394
C -4.869457 1.136010 -0.207143
C -5.874972 -1.083753 0.043554
C -6.012983 0.317782 -0.138054
C 4.003342 -0.450051 -0.056162
C 4.194212 0.041404 -1.366973
C 5.051939 -0.477919 0.884935
C 5.469894 0.526860 -1.730753
C 6.324214 0.006522 0.504104
C 6.535585 0.513139 -0.799347
H 2.337255 1.642833 -0.022606
H -4.453290 -2.731270 0.293894
H -4.942331 2.219070 -0.346916
H -6.765765 -1.719027 0.096918
H -7.010633 0.762066 -0.224459
H 1.523898 -2.912684 0.496687
H -0.281680 -3.125037 0.467934
H 0.979946 3.409288 -0.263464
H 3.370002 0.029324 -2.087357
H 4.864630 -0.875432 1.886775
H 5.631855 0.904908 -2.745882
H 7.146771 -0.011823 1.226897
H 7.522648 0.887706 -1.089578


